Basic information
- CAS
42830-48-8- Standard SMILES
Oc1ccc([C@H]2Oc3cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C[C@@H]2O)cc1O- InChIKey
UQKKDJWFQBNZBJ-MLYGIHNMSA-N- Molecular formula
- C20H22O10
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.12129689
Overview
(+)-catechin 7-O-beta-D-xyloside is a monosaccharide derivative that is (+)-catechin substituted by a beta-D-xylopyranosyl moiety at position 7 via a glycosidic linkage. It is a beta-D-xyloside and a monosaccharide derivative. It is functionally related to a (+)-catechin.
Names & identifiers
- Preferred name
- (+)-catechin 7-O-beta-D-xyloside
- IUPAC
- (2S,3R,4S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
- English name
- Catechin 7-xyloside
- Molecular formula
- C20H22O10
- Molecular weight
- 422.38
Names & synonyms
CHEBI:28117(+)-catechin 7-O-beta-D-xyloside(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl beta-D-xylopyranoside(2S,3R,4S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol(2S,3R,4S,5R)-2-(((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl)oxy)oxane-3,4,5-triolRefChem:934610Catechin 7-xyloside42830-48-8Catechin 7-O-beta-D-xylosideCatechin-7-O-|A-D-xylopyranosideCatechin-7-O-beta-D-xylopyranosideNSC115491
Show more names
Catechin 7-O-xylosideCatechin-7-O-D-xylopyranosideCatechin 7-O-β-D-xylopyranoside(+)-Catechin 7-O-β-D-xylopyranosideCatechin-7-O-β-D-xylopyranoside/Catechin7-xyloside2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-chroman-7-yl]oxyoxane-3,4,5-triolβ-D-Xylopyranoside, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl
(+)-Catechin-7-O-beta-D-xylopyranosideCatechin7-xylosideNSC 115491catechin-7-o-xylosideorb1681288SCHEMBL8591684Catechin-7-O--D-xylopyranosideSCHEMBL38656478
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 773.755 · 773.755±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.674 · 1.674±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 9.275 · 9.275±0.60(predicted)
Chemistry & industry
Applications
UsesCatechin-7-O-β-D-xylopyranoside is an antioxidant compound with strong DPPH free radical scavenging ability. Catechin-7-O-β-D-xylopyranoside can be extracted from birch inner bark and nepeta stem bark[1][2].
Suppliers35 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited
Related reactions
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Compound notes
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